Chemical Components in the PDB

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SLC : Summary

Code

SLC

One-letter code

X

Molecule name

SELENO-CAPTOPRIL

Synonyms

1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[2-(selanylmethyl)acryloyl]-L-proline
OpenEye OEToolkits 1.7.0 1-[2-(selanylmethyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid

Formula

C9 H13 N O3 Se

Formal charge

0

Molecular weight

262.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1N(C(=O)\\C(=C)C[SeH])CCC1
SMILES CACTVS 3.370 OC(=O)[CH]1CCCN1C(=O)C(=C)C[SeH]
SMILES OpenEye OEToolkits 1.7.0 C=C(C[SeH])C(=O)N1CCCC1C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1CCCN1C(=O)C(=C)C[SeH]
Canonical SMILES OpenEye OEToolkits 1.7.0 C=C(C[SeH])C(=O)N1CCCC1C(=O)O

IUPAC InChI

InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1

IUPAC InChI key

YLSOIJMYGUURIT-ZETCQYMHSA-N

Has sub-components

 CC4
SLC

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-22

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned